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Molecular dynamics simulation of electron-transfer reactions in solution

✍ Scribed by Zichi, Dominic A.; Ciccotti, Giovanni; Hynes, James T.; Ferrario, Mauro


Book ID
118187769
Publisher
American Chemical Society
Year
1989
Tongue
English
Weight
567 KB
Volume
93
Category
Article
ISSN
0022-3654

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The reorganization energy of electron-transfer reactions as a function of the distance between donor and acceptor molecules is calculated by Monte Carlo simulation. It is found that the reorganization energy of charge-separation reactions is appreciably different from that of charge-recombination re